CID 573386

4-(octadecyloxy)aniline

Structural Information

Molecular Formula
C24H43NO
SMILES
CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)N
InChI
InChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-24-20-18-23(25)19-21-24/h18-21H,2-17,22,25H2,1H3
InChIKey
VHLNNLJPJGVFRU-UHFFFAOYSA-N
Compound name
4-octadecoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

361.33447 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.341746 199.1
[M+Na]+ 384.323688 200.0
[M-H]- 360.327194 199.4
[M+NH4]+ 379.368293 211.4
[M+K]+ 400.297628 194.5
[M+H-H2O]+ 344.331730 190.1
[M+HCOO]- 406.332671 219.1
[M+CH3COO]- 420.348321 223.7
[M+Na-2H]- 382.309136 197.7
[M]+ 361.33392142 204.5
[M]- 361.33501858 204.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe